CID 132398538

2172565-28-3

Structural Information

Molecular Formula
C8H9NO2S
SMILES
C1CS(=N)(=O)C2=CC=CC=C2O1
InChI
InChI=1S/C8H9NO2S/c9-12(10)6-5-11-7-3-1-2-4-8(7)12/h1-4,9H,5-6H2
InChIKey
MKEGRCVSFNEBPW-UHFFFAOYSA-N
Compound name
4-imino-2,3-dihydro-1,4lambda6-benzoxathiine 4-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.0354 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.042676 131.0
[M+Na]+ 206.024618 140.0
[M-H]- 182.028124 136.5
[M+NH4]+ 201.069223 152.9
[M+K]+ 221.998558 138.1
[M+H-H2O]+ 166.032660 126.0
[M+HCOO]- 228.033601 148.8
[M+CH3COO]- 242.049251 145.0
[M+Na-2H]- 204.010066 140.1
[M]+ 183.03485142 131.0
[M]- 183.03594858 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.